Geometry & MOs

Info

ID:	439016
PubChem CID:	135228778
Reduced:	NO3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	332.165541
ΔH_f, kcal/mol:	-122.28
Dipole, Da:	5.93
IP(EA), eV:	-8.91(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloro-2-methyl-1,3,5,9b-tetrahydroimidazo[1,5-b]isoindol-5-yl)-1-cyclohexylethanone

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC1=O)C3=C(CC2C(C)C)C=C(C(=C3)C)C

DOS

IR

Vibrations